N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride

C9H14ClNS — CID 17294982

IUPACN-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
SMILESCc1ccc(CNC2CC2)s1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7-2-5-9(11-7)6-10-8-3-4-8;/h2,5,8,10H,3-4,6H2,1H3;1H
InChIKeyVQIKTYPXIUXBTD-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.73
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride

N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride (PubChem CID 17294982) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
PubChem CID17294982
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
SMILESCc1ccc(CNC2CC2)s1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7-2-5-9(11-7)6-10-8-3-4-8;/h2,5,8,10H,3-4,6H2,1H3;1H
InChIKeyVQIKTYPXIUXBTD-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 65080142
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
CID 114817596
N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827
N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696592
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
1-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 47030573
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567
trans-(1R,2R)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339568

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride (CID 17294982) is N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride is Cc1ccc(CNC2CC2)s1.Cl.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is VQIKTYPXIUXBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-7-2-5-9(11-7)6-10-8-3-4-8;/h2,5,8,10H,3-4,6H2,1H3;1H.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride?
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 17294982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).